%chk=000274369.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274369

0 1
O -2.452951 2.479393 0.769540
O -2.274770 2.315028 -1.455269
C 0.012191 0.435873 -0.564174
C -0.311849 1.847289 -0.007839
C -0.925506 -0.652775 -0.075097
C 1.442324 0.062455 -0.220643
C 0.612642 2.919746 -0.582516
C -1.737224 2.214904 -0.380499
C -1.053673 -1.813252 -0.857827
C 2.410308 0.022714 -1.235381
C -1.642151 -0.552135 1.124553
C 1.809439 -0.240391 1.099090
C -1.888746 -2.852988 -0.444787
C 3.732071 -0.314216 -0.930094
C -2.478611 -1.595691 1.534010
C 3.132039 -0.575804 1.399010
C -2.604165 -2.747264 0.753071
C 4.096281 -0.612328 0.386421
H -0.095263 0.497292 -1.684046
H -0.213826 1.838394 1.110476
H 0.403152 3.906636 -0.151557
H 1.665557 2.688062 -0.367341
H 0.515090 3.006722 -1.673207
H -0.496864 -1.906534 -1.789085
H 2.136642 0.252874 -2.263408
H -1.566776 0.342325 1.744041
H 1.059983 -0.226781 1.889496
H -1.983126 -3.748339 -1.057346
H 4.479275 -0.345359 -1.721567
H -3.033986 -1.506907 2.466469
H 3.411348 -0.812456 2.424635
H -3.255263 -3.557752 1.073307
H 5.125456 -0.874773 0.622175
H -3.398948 2.722838 0.590188


%chk=000274369-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000274369

0 1
O -2.497552 2.685174 0.714674
O -2.242099 2.174830 -1.535657
C 0.010815 0.424147 -0.541050
C -0.332001 1.852067 0.006517
C -0.958913 -0.669001 -0.062035
C 1.466526 0.054684 -0.216168
C 0.619093 2.938020 -0.564012
C -1.756229 2.221105 -0.384430
C -1.133164 -1.821857 -0.870802
C 2.450830 0.050187 -1.236066
C -1.654197 -0.601989 1.172403
C 1.860698 -0.272749 1.107360
C -1.972338 -2.879754 -0.462293
C 3.796797 -0.271023 -0.945708
C -2.496030 -1.660336 1.586079
C 3.204515 -0.588497 1.402790
C -2.657584 -2.804122 0.773395
C 4.179270 -0.589351 0.376966
H -0.084480 0.491321 -1.642956
H -0.260452 1.863712 1.107957
H 0.347734 3.937149 -0.179510
H 1.660143 2.724627 -0.269957
H 0.562300 2.962842 -1.667049
H -0.602663 -1.887990 -1.828811
H 2.160906 0.299861 -2.264432
H -1.560089 0.279875 1.815032
H 1.109992 -0.302317 1.905935
H -2.094743 -3.759014 -1.104872
H 4.542826 -0.273074 -1.748517
H -3.027692 -1.587737 2.541849
H 3.491421 -0.842179 2.429758
H -3.311240 -3.623018 1.094152
H 5.221158 -0.840078 0.605651
H -3.413460 2.931283 0.408605


